Compound Detail
CHEMBL4159198
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL4159198 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZYCFMHCDZSVIGF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
341.4
MW (Da)
2.25
ALogP
7
HBA
2
HBD
109.0
PSA (Ų)
0.67
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Toll-like receptor 8 CHEMBL5805 | EC50 | 4.3 | 4.3 | 49800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Toll-like receptor 8 | EC50 | = | 49800.0 | nM | 4.3 | Agonist activity at human TLR8 expressed in HEK cells after 8 to 12 hrs by NFkap... | 29152046 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29152046 | 10.1021/acsmedchemlett.7b00256 | PBMC | 3 |
| 29152046 | 10.1021/acsmedchemlett.7b00256 | Toll-like receptor 8 | 1 |
| 29152046 | 10.1021/acsmedchemlett.7b00256 | Toll-like receptor 7 | 1 |
Data from ChEMBL 36 via Core Engine